Corrections for formation energy and eigenvalues for charged defect simulations
☆15Apr 18, 2023Updated 3 years ago
Alternatives and similar repositories for CoFFEE
Users that are interested in CoFFEE are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Finite-size corrections of defect energy levels involving ionic polarization☆11Oct 20, 2022Updated 4 years ago
- Materials for the ML schools at IISC 2025☆14Jan 18, 2025Updated last year
- Quick tools for materials chemistry☆19May 29, 2024Updated 2 years ago
- Tutorial material for hands-on sessions (work in progress)☆26Jun 12, 2021Updated 5 years ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆34Sep 11, 2026Updated last month
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Implementation for computing nonradiative recombination rates in semiconductors☆56Nov 6, 2025Updated 11 months ago
- A Fortran90 program for unfolding phonon dispersions☆13Jun 12, 2020Updated 6 years ago
- WESTpy code☆13Aug 29, 2026Updated 2 months ago
- Curatable database for experimental and theoretical data on solid materials.☆12Sep 9, 2026Updated last month
- Commands to run VASP jobs automatically. Pre-processing or post-processing☆10Jan 8, 2024Updated 2 years ago
- This program converts Standardised Precipitation-Evapotranspiration Index (SPEI) data from the netcdf format to csv and Excel formats.☆11Jun 5, 2024Updated 2 years ago
- Toolkit for visualizing phase stability and defects diagrams from DFT calculations of multicomponent materials.☆19Feb 20, 2024Updated 2 years ago
- Effective mass calculation with DFT☆16Jan 20, 2026Updated 9 months ago
- Resources and files for the advanced vampire workshop☆21Feb 6, 2026Updated 8 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Monte Carlo Modeling of Secondary Electron Emission using fully DFT input☆22Mar 2, 2023Updated 3 years ago
- Density matrix embedding theory for periodic systems☆19Dec 3, 2021Updated 4 years ago
- A unified package for post-processing optical properties of point defects from first principles calculation.☆12Jul 18, 2026Updated 3 months ago
- Calculate higher-order elastic constant by first-principles or machine learning force field (interatomic potential)☆13Oct 24, 2026Updated last week
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆22Apr 30, 2025Updated last year
- PRinceton Orbital-Free Electronic Structure Software☆29Jul 19, 2020Updated 6 years ago
- A lightweight Python package for calculating descriptors of chemical bonding and local electronic structure from Wannier functions.☆13Oct 27, 2026Updated last week
- Transfer learning repo☆11Feb 6, 2025Updated last year
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆51May 6, 2024Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆11Dec 10, 2023Updated 2 years ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆23Oct 15, 2024Updated 2 years ago
- ☆12Sep 29, 2026Updated last month
- This is the official GPL repository of the yambo code☆137Oct 22, 2026Updated last week
- Utility for applying the distortion symmetry method.☆28Feb 21, 2024Updated 2 years ago
- Quantum Corrections to Drift Diffusion simulation☆12Jan 5, 2024Updated 2 years ago
- Python software that implements the formulation for evaluating the effects of electron-phonon coupling on the optical properties of defec…☆12Sep 30, 2026Updated last month
- Thermodynamic Phase Diagram Generator☆61Mar 5, 2022Updated 4 years ago
- Python library for computing electron-phonon renormalizations from finite displacements☆11Jan 6, 2025Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Online resource for introduction to crystallography at Imperial College London (MATE40004)☆14Nov 8, 2022Updated 3 years ago
- WEST code☆38Aug 29, 2026Updated 2 months ago
- ☆16Jun 22, 2025Updated last year
- Personal collection of scripts to handle FHI-aims calculations.☆11May 26, 2024Updated 2 years ago
- Inverse Design of Materials by Multi-objective Differential Evolution☆50May 13, 2026Updated 5 months ago
- Postprocess the phonon spectra, phonon dos, atomic participation rate, mean square displacement, scattering rate, and energy cumulative …☆12Feb 27, 2021Updated 5 years ago
- FortranCL: a Fortran 90 interface for OpenCL☆11Jun 27, 2024Updated 2 years ago